3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

C21H30F3N3O2 — CID 23723518

IUPAC3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H30F3N3O2/c1-16(28)25-10-6-20(29)26(2)15-18-8-12-27(13-9-18)11-7-17-4-3-5-19(14-17)21(22,23)24/h3-5,14,18H,6-13,15H2,1-2H3,(H,25,28)
InChIKeyPQLDFIKOPKFZAH-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.94
Rot. Bonds8

About 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide

3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (PubChem CID 23723518) has the molecular formula C21H30F3N3O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
PubChem CID23723518
Molecular FormulaC21H30F3N3O2
Molecular Weight413.48 g/mol
Exact Mass413.23
IUPAC Name3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H30F3N3O2/c1-16(28)25-10-6-20(29)26(2)15-18-8-12-27(13-9-18)11-7-17-4-3-5-19(14-17)21(22,23)24/h3-5,14,18H,6-13,15H2,1-2H3,(H,25,28)
InChIKeyPQLDFIKOPKFZAH-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-[2-(1-piperidinyl)ethyl]acetamide
CID 6465738
N,N'-Diphenethyl-malonamide
CID 2404841
2-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6469553
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
N-[2-(3-Benzylphenyl)ethyl]propanamide
CID 16094579
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514
3-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-propan-1-one
CID 401843
N~1~,N~1~-dimethyl-N~4~-[2-(4-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 3240797
1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 4651575
1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 4651693
N-[3-[4-[methyl-(2-methylcyclohexyl)amino]piperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6622193

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide (CID 23723518) is 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is CC(=O)NCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is PQLDFIKOPKFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O2/c1-16(28)25-10-6-20(29)26(2)15-18-8-12-27(13-9-18)11-7-17-4-3-5-19(14-17)21(22,23)24/h3-5,14,18H,6-13,15H2,1-2H3,(H,25,28).
What are the key properties of 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide?
3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 413.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 23723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).